2-(3-chlorophenyl)-5-methyl-4-[(1,2,4-triazol-4-ylamino)methylidene]pyrazol-3-one

Systemtic Name: 2-(3-chlorophenyl)-5-methyl-4-[(1,2,4-triazol-4-ylamino)methylidene]pyrazol-3-one Openeye Name: 2-(3-chlorophenyl)-5-methyl-4-[(1,2,4-triazol-4-ylamino)methylene]pyrazol-3-one CAS Name: 2-(3-chlorophenyl)-5-methyl-4-[(1,2,4-triazol-4-ylamino)methylidene]-3-pyrazolone IUPAC Name: 2-(3-chlorophenyl)-5-methyl-4-[(1,2,4-triazol-4-ylamino)methylidene]pyrazol-3-one Traditional Name: 2-(3-chlorophenyl)-5-methyl-4-[(1,2,4-triazol-4-ylamino)methylene]-2-pyrazolin-3-one Formula: C13H11ClN6O MolecularWeight: 302.71904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNN2C=NN=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NN(C(=O)C1=CNN2C=NN=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C13H11ClN6O/c1-9-12(6-17-19-7-15-16-8-19)13(21)20(18-9)11-4-2-3-10(14)5-11/h2-8,17H,1H3